sknano.structures.NanoStructureBase

class sknano.structures.NanoStructureBase(*args, *, basis=None, bond=None, **kwargs)[source][source]

Base class for creating abstract representations of nanostructure.

Parameters:

basis : {str, int, list}, optional

Element chemical symbols or atomic numbers of basis Atom 1 and 2

Attributes

atoms Structure StructureAtoms.
basis NanoStructureBase basis atoms.
crystal_cell Structure CrystalCell.
element1 Basis element 1
element2 Basis element 2
fmtstr Format string.
lattice Structure Crystal3DLattice.
scaling_matrix CrystalCell.scaling_matrix.
structure Pointer to self.
structure_data Alias for BaseStructureMixin.structure.
unit_cell Structure UnitCell.
vdw_distance van der Waals distance.
vdw_radius van der Waals radius

Methods

clear() Clear list of BaseStructureMixin.atoms.
make_supercell(scaling_matrix[, wrap_coords]) Make supercell.
read_data(*args, **kwargs)
read_dump(*args, **kwargs)
read_xyz(*args, **kwargs)
rotate(**kwargs) Rotate crystal cell lattice, basis, and unit cell.
todict() Return dict of constructor parameters.
transform_lattice(scaling_matrix[, ...])
translate(t[, fix_anchor_points]) Translate crystal cell basis.
write_data(**kwargs)
write_dump(**kwargs)
write_xyz(**kwargs)